ethyl 2-fluoro-5-methoxy-3-oxopentanoate

C8H13FO4 — CID 130296923

IUPACethyl 2-fluoro-5-methoxy-3-oxopentanoate
SMILESCCOC(=O)C(F)C(=O)CCOC
InChIInChI=1S/C8H13FO4/c1-3-13-8(11)7(9)6(10)4-5-12-2/h7H,3-5H2,1-2H3
InChIKeySLOJUEMFLMOEIO-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.49
Rot. Bonds6

About ethyl 2-fluoro-5-methoxy-3-oxopentanoate

ethyl 2-fluoro-5-methoxy-3-oxopentanoate (PubChem CID 130296923) has the molecular formula C8H13FO4 and a molecular weight of 192.19 g/mol. Its IUPAC name is ethyl 2-fluoro-5-methoxy-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-methoxy-3-oxopentanoate
PubChem CID130296923
Molecular FormulaC8H13FO4
Molecular Weight192.19 g/mol
Exact Mass192.08
IUPAC Nameethyl 2-fluoro-5-methoxy-3-oxopentanoate
SMILESCCOC(=O)C(F)C(=O)CCOC
InChIInChI=1S/C8H13FO4/c1-3-13-8(11)7(9)6(10)4-5-12-2/h7H,3-5H2,1-2H3
InChIKeySLOJUEMFLMOEIO-UHFFFAOYSA-N
XLogP0.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-methoxy-3-oxopentanoate?
The IUPAC name of ethyl 2-fluoro-5-methoxy-3-oxopentanoate (CID 130296923) is ethyl 2-fluoro-5-methoxy-3-oxopentanoate.
What is the SMILES notation for ethyl 2-fluoro-5-methoxy-3-oxopentanoate?
The canonical SMILES for ethyl 2-fluoro-5-methoxy-3-oxopentanoate is CCOC(=O)C(F)C(=O)CCOC.
What is the InChIKey of ethyl 2-fluoro-5-methoxy-3-oxopentanoate?
The InChIKey is SLOJUEMFLMOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4/c1-3-13-8(11)7(9)6(10)4-5-12-2/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-5-methoxy-3-oxopentanoate?
ethyl 2-fluoro-5-methoxy-3-oxopentanoate has a molecular weight of 192.19 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-5-methoxy-3-oxopentanoate is sourced from PubChem (CID 130296923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).